PMC:7605337 / 17543-18006 4 Projects
Annnotations
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T89 | 0-102 | Sentence | denotes | The principal components were used to calculate and plot the approximate free energy landscape (aFEL). |
| T90 | 103-463 | Sentence | denotes | We refer to the FEL produced by this approach to be approximate in that the ensemble with respect to the first few PC’s (lowest frequency quasiharmonic modes) is not close to convergence, but the analysis can still provide valuable information and insight. g_sham, g_covar, and g_anaeig functions in GROMACS35 were used to obtain principal components and aFEL. |